[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol

C19H27N2O3P — CID 663201

IUPAC[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol
SMILESCC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccn1
InChIInChI=1S/C19H27N2O3P/c1-15(2)12-14-24-25(23,19(22)18-7-5-6-13-20-18)17-10-8-16(9-11-17)21(3)4/h5-11,13,15,19,22H,12,14H2,1-4H3
InChIKeyBDRVQEMFJKLJAO-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.80
Rot. Bonds8

About [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol

[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol (PubChem CID 663201) has the molecular formula C19H27N2O3P and a molecular weight of 362.41 g/mol. Its IUPAC name is [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol
PubChem CID663201
Molecular FormulaC19H27N2O3P
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol
SMILESCC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccn1
InChIInChI=1S/C19H27N2O3P/c1-15(2)12-14-24-25(23,19(22)18-7-5-6-13-20-18)17-10-8-16(9-11-17)21(3)4/h5-11,13,15,19,22H,12,14H2,1-4H3
InChIKeyBDRVQEMFJKLJAO-UHFFFAOYSA-N
XLogP3.80
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol
CID 11876280
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 3372681
(R)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 11879084
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
(S)-(2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]methanol
CID 11863150
(S)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol
CID 11860720
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
CID 11863010
4-[[anilino-(2,6-dichlorophenyl)methyl]-(3-methylbutoxy)phosphoryl]-N,N-dimethylaniline
CID 5100468
[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol
CID 3373675
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863218
(R)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863221

Frequently Asked Questions

What is the IUPAC name of [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol?
The IUPAC name of [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol (CID 663201) is [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol.
What is the SMILES notation for [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol?
The canonical SMILES for [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol is CC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccn1.
What is the InChIKey of [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol?
The InChIKey is BDRVQEMFJKLJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N2O3P/c1-15(2)12-14-24-25(23,19(22)18-7-5-6-13-20-18)17-10-8-16(9-11-17)21(3)4/h5-11,13,15,19,22H,12,14H2,1-4H3.
What are the key properties of [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol?
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol has a molecular weight of 362.41 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-pyridin-2-ylmethanol is sourced from PubChem (CID 663201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).